SCHEMBL11510235

SCHEMBL11510235

Cc1cc(OC(=O)c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)n(C(C)c2ccc(C)c(Cl)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ TDP1 Q9NUW8 3/20 0.38
▸ HSP90AA1 P07900 2/20 0.38
▸ HPGD P15428 3/20 0.37
▸ F2 P00734 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTR1E P28566 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TSHR P16473 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11509749 0.82 MAPT (0.39) MAPTMEN1KMT2AALOX12ALDH1A1
SCHEMBL11509376 0.81 S1PR3 (0.43) MAPTKMT2AGAAS1PR3
SCHEMBL11508918 0.80 VCAM1 (0.39) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11512193 0.79 ALOX5 (0.40) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL11508518 0.79 GPR139 (0.37) MAPTMEN1KMT2ATDP1GAA
SCHEMBL11613118 0.79 MAPT (0.46) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL11511357 0.78 MAPT (0.43) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL11507688 0.77 GPR139 (0.38) MAPTLMNAALDH1A1HPGDS1PR3
SCHEMBL11509389 0.77 GPR139 (0.38) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL11509147 0.76 GPR139 (0.36) MAPTMEN1KMT2ALMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160098-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1979-07-03 — — US disclosed
US-4122281-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4122280-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4122279-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4096152-A DIURETICS, SALURETICS, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1978-06-20 — — US disclosed
US-4069334-A DIURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-17 — — US disclosed
US-4002641-A DIURETICS, SALURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 — — US disclosed
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